UCSF

ZINC42947400

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 8.37 -57.53 3 3 1 45 286.786 3
Hi High (pH 8-9.5) 2.96 8.09 -8.26 2 3 0 44 285.778 3
Mid Mid (pH 6-8) 2.96 8.85 -110.12 4 3 2 47 287.794 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )